(3-bromanyl-4-iodanyl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromanyl-4-iodanyl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(3-bromo-4-iodo-phenyl)methanone CAS Name: (3-bromo-4-iodophenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3-bromo-4-iodophenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3-bromo-4-iodo-phenyl)methanone Formula: C19H20BrIN2O MolecularWeight: 499.18337

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)I)Br)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)I)Br)CC3=CC=CC=C3

InChI

InChI=1S/C19H20BrIN2O/c20-17-13-16(7-8-18(17)21)19(24)23-10-4-9-22(11-12-23)14-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2